Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64719
- Core Entity Id
- 111737
- Source Entity Count
- 1
- Preferred Name
- Senegin Iv
- Name En
- Pubchem Id
- 71448934
- Smiles Canonical
- CC1C(C(C(C(O1)OC2C(C(OC(C2OC3C(C(C(CO3)OC4C(C(C(C(O4)CO)O)O)O)O)O)C)OC5C(C(C(OC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)CO)(CCC1C9(CC(C(C1(C)C(=O)O)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)C)OC(=O)C=CC1=CC=C(C=C1)OC)OC1C(C(C(C(O1)C)O)O)O)O)O)O)O
- Molecular Formula
- C81H122O39
- Molecular Weight
- 1719.8000
- Inchikey
- ARSZFSLDAVWWJY-OKMFKZBXSA-N
- Inchi
- InChI=1S/C81H122O39/c1-31-46(87)51(92)56(97)68(107-31)116-63-60(101)72(109-33(3)61(63)115-67-55(96)50(91)42(29-106-67)113-70-58(99)53(94)48(89)40(27-82)111-70)118-65-64(117-69-57(98)52(93)47(88)32(2)108-69)62(114-45(86)18-13-35-11-14-36(105-10)15-12-35)34(4)110-73(65)120-75(104)80-22-21-76(5,6)25-38(80)37-16-17-43-77(7)26-39(85)66(119-71-59(100)54(95)49(90)41(28-83)112-71)79(9,74(102)103)44(77)19-20-78(43,8)81(37,30-84)24-23-80/h11-16,18,31-34,38-44,46-73,82-85,87-101H,17,19-30H2,1-10H3,(H,102,103)/b18-13+/t31-,32-,33-,34+,38-,39-,40+,41+,42+,43+,44+,46-,47-,48-,49+,50-,51+,52+,53-,54-,55+,56+,57+,58+,59+,60+,61-,62-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-,73-,77+,78+,79-,80-,81-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -2.9000
- Num H Donors
- 20
- Num H Acceptors
- 39
- Num Rotatable Bonds
- 24
- Drug Likeness
- Polar Surface Area
- 603.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Senegin Iv
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Senegin Iv
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26754
Pub Chem
71448934
Itcmdb Generated
ITX-INGREDIENT-96679190B5E7
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecule Formula
C81H122O39